data_256D

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  256D
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    256D
_pdbx_vrpt_summary.PDB_deposition_date         1996-03-31
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-14
_pdbx_vrpt_summary.report_creation_date        2024-02-06:23:31
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "DNA (5'-D(*GP*(5CM)P*GP*CP*GP*C)-3')"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.2  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_percent  
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   99.96  141614     ?     ?  
2  2  1  100.00    5594  2.20  2.20  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    4800  2.20  2.20  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  3  2  B  1  1  B  100.00  
4  4  2  B  1  1  B  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  3.00  2.58  112  169  
2  1  1  B  B  2.94  2.49  112  169  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       0.00
_pdbx_vrpt_summary_geometry.num_H_reduce     133
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   224
_pdbx_vrpt_summary_geometry.bonds_RMSZ       2.53
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  338
_pdbx_vrpt_summary_geometry.angles_RMSZ      2.97
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 112.693
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            85.732
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         26.837
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.70(2.15A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        2094
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.356
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.231
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.459
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.294
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.960
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.15
_pdbx_vrpt_summary_diffraction.EDS_res_low               23.84
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[29.664,21.952,29.057,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.287
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 29.82 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 1.4515e-03. The detected translational NCS is most likely also responsible for the elevated intensity ratio.  See the relevant section of the logfile for more details."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         81.61
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      0
_pdbx_vrpt_summary_diffraction.percent_free_reflections  0.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.20
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        8.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.17
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_plane_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
 1  1  1  A  1  DG   A   1  .  ?        1     2     ?     ?  
 2  1  1  A  2  5CM  A   2  .  ?        ?     ?     ?     2  
 3  1  1  A  3  DG   A   3  .  ?        5     6     ?     ?  
 4  1  1  A  4  DC   A   4  .  ?        ?     1     ?     ?  
 5  1  1  A  5  DG   A   5  .  ?        2     4     1     ?  
 6  1  1  A  6  DC   A   6  .  ?        ?     6     ?     ?  
 7  1  1  B  1  DG   B   7  .  ?        1     ?     ?     ?  
 8  1  1  B  2  5CM  B   8  .  ?        ?     ?     ?     5  
 9  1  1  B  3  DG   B   9  .  ?        2     6     ?     ?  
10  1  1  B  4  DC   B  10  .  ?        1     4     1     ?  
11  1  1  B  5  DG   B  11  .  ?        2     2     ?     ?  
12  1  1  B  6  DC   B  12  .  ?        1     1     ?     ?  
13  1  2  C  .  HOH  A  14  .  ?        ?     ?     ?     ?  
14  1  2  C  .  HOH  A  15  .  ?        ?     ?     ?     ?  
15  1  2  C  .  HOH  A  16  .  ?        ?     ?     ?     ?  
16  1  2  C  .  HOH  A  20  .  ?        ?     ?     ?     ?  
17  1  2  C  .  HOH  A  22  .  ?        ?     ?     ?     ?  
18  1  2  C  .  HOH  A  23  .  ?        ?     ?     ?     ?  
19  1  2  C  .  HOH  A  26  .  ?        ?     ?     ?     ?  
20  1  2  C  .  HOH  A  27  .  ?        ?     ?     ?     ?  
21  1  2  C  .  HOH  A  30  .  ?        ?     ?     ?     ?  
22  1  2  C  .  HOH  A  31  .  ?        ?     ?     ?     ?  
23  1  2  C  .  HOH  A  32  .  ?        ?     ?     ?     ?  
24  1  2  C  .  HOH  A  33  .  ?        ?     ?     ?     ?  
25  1  2  C  .  HOH  A  36  .  ?        ?     ?     ?     ?  
26  1  2  C  .  HOH  A  37  .  ?        ?     ?     ?     ?  
27  1  2  C  .  HOH  A  39  .  ?        ?     ?     ?     ?  
28  1  2  C  .  HOH  A  40  .  ?        ?     ?     ?     ?  
29  1  2  C  .  HOH  A  41  .  ?        ?     ?     ?     ?  
30  1  2  C  .  HOH  A  43  .  ?        ?     ?     ?     ?  
31  1  2  C  .  HOH  A  44  .  ?        ?     ?     ?     ?  
32  1  2  C  .  HOH  A  46  .  ?        ?     ?     ?     ?  
33  1  2  D  .  HOH  B  13  .  ?        ?     ?     ?     ?  
34  1  2  D  .  HOH  B  17  .  ?        ?     ?     ?     ?  
35  1  2  D  .  HOH  B  18  .  ?        ?     ?     ?     ?  
36  1  2  D  .  HOH  B  19  .  ?        ?     ?     ?     ?  
37  1  2  D  .  HOH  B  21  .  ?        ?     ?     ?     ?  
38  1  2  D  .  HOH  B  24  .  ?        ?     ?     ?     ?  
39  1  2  D  .  HOH  B  25  .  ?        ?     ?     ?     ?  
40  1  2  D  .  HOH  B  28  .  ?        ?     ?     ?     ?  
41  1  2  D  .  HOH  B  29  .  ?        ?     ?     ?     ?  
42  1  2  D  .  HOH  B  34  .  ?        ?     ?     ?     ?  
43  1  2  D  .  HOH  B  35  .  ?        ?     ?     ?     ?  
44  1  2  D  .  HOH  B  38  .  ?        ?     ?     ?     ?  
45  1  2  D  .  HOH  B  42  .  ?        ?     ?     ?     ?  
46  1  2  D  .  HOH  B  45  .  ?        ?     ?     ?     ?  
47  1  2  D  .  HOH  B  47  .  ?        ?     ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
 1   1    12  14.290    21  2.29    31  2.77  molprobity  1.000  
 2   2    13  18.830    17  0.83    24  1.31  mogul       1.000  
 3   3     8  20.890    25  3.62    39  3.15  molprobity  1.000  
 4   4    11  18.480    21  1.59    32  2.52  molprobity  1.000  
 5   5     9  12.480    25  2.78    39  2.93  molprobity  1.000  
 6   6    12  10.800    20  1.73    28  3.56  molprobity  1.000  
 7   7    12  18.520    21  2.34    31  2.18  molprobity  1.000  
 8   8    13  21.480    17  0.68    24  1.68  mogul       1.000  
 9   9    11  17.230    25  2.74    39  3.33  molprobity  1.000  
10  10    11  17.040    21  2.40    32  3.40  molprobity  1.000  
11  11     9  12.830    25  2.72    39  2.70  molprobity  1.000  
12  12    12   7.520    20  2.07    28  2.86  molprobity  1.000  
13  13     ?  57.750     ?     ?     ?     ?  ?           1.000  
14  14     ?  42.930     ?     ?     ?     ?  ?           1.000  
15  15     ?  18.640     ?     ?     ?     ?  ?           1.000  
16  16     ?  51.940     ?     ?     ?     ?  ?           1.000  
17  17     ?  39.450     ?     ?     ?     ?  ?           1.000  
18  18     ?  48.700     ?     ?     ?     ?  ?           1.000  
19  19     ?  21.460     ?     ?     ?     ?  ?           1.000  
20  20     ?  30.510     ?     ?     ?     ?  ?           1.000  
21  21     ?  37.330     ?     ?     ?     ?  ?           1.000  
22  22     ?  72.950     ?     ?     ?     ?  ?           1.000  
23  23     ?  43.150     ?     ?     ?     ?  ?           1.000  
24  24     ?  30.000     ?     ?     ?     ?  ?           1.000  
25  25     ?  42.740     ?     ?     ?     ?  ?           1.000  
26  26     ?  50.980     ?     ?     ?     ?  ?           1.000  
27  27     ?  69.180     ?     ?     ?     ?  ?           1.000  
28  28     ?  60.810     ?     ?     ?     ?  ?           1.000  
29  29     ?  62.940     ?     ?     ?     ?  ?           1.000  
30  30     ?  42.760     ?     ?     ?     ?  ?           1.000  
31  31     ?  52.680     ?     ?     ?     ?  ?           1.000  
32  32     ?  66.980     ?     ?     ?     ?  ?           1.000  
33  33     ?  18.620     ?     ?     ?     ?  ?           1.000  
34  34     ?  33.740     ?     ?     ?     ?  ?           1.000  
35  35     ?  43.890     ?     ?     ?     ?  ?           1.000  
36  36     ?  39.290     ?     ?     ?     ?  ?           1.000  
37  37     ?  37.810     ?     ?     ?     ?  ?           1.000  
38  38     ?  25.050     ?     ?     ?     ?  ?           1.000  
39  39     ?  14.790     ?     ?     ?     ?  ?           1.000  
40  40     ?  50.990     ?     ?     ?     ?  ?           1.000  
41  41     ?  44.220     ?     ?     ?     ?  ?           1.000  
42  42     ?  26.410     ?     ?     ?     ?  ?           1.000  
43  43     ?  58.110     ?     ?     ?     ?  ?           1.000  
44  44     ?  40.420     ?     ?     ?     ?  ?           1.000  
45  45     ?  46.260     ?     ?     ?     ?  ?           1.000  
46  46     ?  53.980     ?     ?     ?     ?  ?           1.000  
47  47     ?  71.360     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd
1   5  sidechain  0.09  
2  10  sidechain  0.08  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
 1   1  C6     N1     1.355  1.391  0.007  -5.17  
 2   3  C2     N2     1.263  1.341  0.010  -7.76  
 3   3  C2     N3     1.278  1.323  0.008  -5.62  
 4   3  C6     N1     1.355  1.391  0.007  -5.16  
 5   3  N1     C2     1.312  1.373  0.008  -7.60  
 6   3  N7     C5     1.433  1.388  0.006   7.46  
 7   5  C2     N2     1.277  1.341  0.010  -6.43  
 8   5  N1     C2     1.322  1.373  0.008  -6.37  
 9   7  "C2'"  "C1'"  1.463  1.518  0.010  -5.52  
10   9  C2     N3     1.281  1.323  0.008  -5.30  
11   9  C6     N1     1.350  1.391  0.007  -5.89  
12  10  "C3'"  "C2'"  1.447  1.518  0.012  -5.92  
13  11  C2     N2     1.288  1.341  0.010  -5.27  
14  11  N3     C4     1.392  1.350  0.007   6.03  
15  12  "C4'"  "C3'"  1.465  1.521  0.010  -5.64  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
 1   1  C8     N9     C4     104.139  106.400  0.400  -5.65  
 2   1  "O4'"  "C1'"  N9     114.252  108.000  0.700   8.93  
 3   3  "C1'"  "O4'"  "C4'"  104.741  110.100  1.000  -5.36  
 4   3  C2     N3     C4     114.483  111.900  0.500   5.17  
 5   3  C5     C6     O6     131.847  128.600  0.600   5.41  
 6   3  C6     C5     N7     133.763  130.400  0.600   5.61  
 7   3  N1     C6     O6     114.613  119.900  0.600  -8.81  
 8   3  N9     C4     C5     107.462  105.400  0.400   5.15  
 9   4  "O4'"  "C1'"  N1     114.773  108.000  0.700   9.68  
10   5  N1     C6     O6     115.347  119.900  0.600  -7.59  
11   5  N3     C4     C5     125.619  128.600  0.500  -5.96  
12   5  "O4'"  "C1'"  N9     111.685  108.000  0.700   5.26  
13   5  "O4'"  "C4'"  "C3'"  100.800  106.000  0.600  -8.67  
14   6  C2     N3     C4     122.508  119.900  0.500   5.22  
15   6  "C4'"  "C3'"  "C2'"   97.998  103.100  0.900  -5.67  
16   6  C6     N1     C2     122.795  120.300  0.400   6.24  
17   6  N1     C2     N3     115.519  119.200  0.700  -5.26  
18   6  N1     C2     O2     124.696  118.900  0.600   9.66  
19   6  "O4'"  "C1'"  N1     113.040  108.000  0.700   7.20  
20   9  "C1'"  "O4'"  "C4'"  102.316  110.100  1.000  -7.78  
21   9  C6     C5     N7     133.402  130.400  0.600   5.00  
22   9  N1     C6     O6     116.286  119.900  0.600  -6.02  
23   9  N9     C4     C5     107.529  105.400  0.400   5.32  
24   9  "O4'"  "C1'"  "C2'"  111.073  105.900  0.800   6.47  
25   9  "O4'"  "C4'"  "C3'"  109.926  106.000  0.600   6.54  
26  10  "C1'"  "O4'"  "C4'"  103.878  110.100  1.000  -6.22  
27  10  C6     N1     C2     123.403  120.300  0.400   7.76  
28  10  N1     C2     O2     123.694  118.900  0.600   7.99  
29  10  "O4'"  "C1'"  N1     113.595  108.000  0.700   7.99  
30  11  N1     C6     O6     116.586  119.900  0.600  -5.52  
31  11  "O4'"  "C4'"  "C3'"  101.403  106.000  0.600  -7.66  
32  12  "O4'"  "C1'"  N1     115.377  108.000  0.700  10.54  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  2  C5     C6     N1  120.48  123.34  431  1.03  -2.77  0.07  
2  2  "O4'"  "C1'"  N1  113.50  107.86  804  1.79   3.15  0.12  
3  8  O2     C2     N3  118.97  122.33  702  1.63  -2.07  0.07  
4  8  C4     N3     C2  117.92  120.69  122  1.35  -2.05  0.13  
5  8  C5     C6     N1  119.78  123.34  431  1.03  -3.46  0.04  
6  8  "C2'"  "C1'"  N1  120.57  113.77  663  2.30   2.95  0.25  
7  8  "O4'"  "C1'"  N1  115.99  107.86  804  1.79   4.55  0.08  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
 1   1  19  0.941  0.109  -0.728  
 2   2  20  0.938  0.088       ?  
 3   3  22  0.941  0.107  -0.766  
 4   4  19  0.948  0.114  -0.637  
 5   5  22  0.945  0.092  -1.049  
 6   6  19  0.966  0.079  -1.228  
 7   7  19  0.926  0.117  -0.577  
 8   8  20  0.942  0.103       ?  
 9   9  22  0.942  0.089  -1.106  
10  10  19  0.948  0.110  -0.705  
11  11  22  0.934  0.098  -0.936  
12  12  19  0.969  0.066  -1.447  
13  13   1  0.815  0.418       ?  
14  14   1  0.840  0.130       ?  
15  15   1  0.870  0.104       ?  
16  16   1  0.364  0.433       ?  
17  17   1  0.606  0.500       ?  
18  18   1  0.895  0.247       ?  
19  19   1  0.669  0.243       ?  
20  20   1  0.863  0.217       ?  
21  21   1  0.632  0.159       ?  
22  22   1  0.023  0.918       ?  
23  23   1  0.718  0.280       ?  
24  24   1  0.786  0.175       ?  
25  25   1  0.748  0.258       ?  
26  26   1  0.825  0.284       ?  
27  27   1  0.637  0.580       ?  
28  28   1  0.262  0.406       ?  
29  29   1  0.525  0.432       ?  
30  30   1  0.862  0.198       ?  
31  31   1  0.749  0.156       ?  
32  32   1  0.820  0.458       ?  
33  33   1  0.859  0.275       ?  
34  34   1  0.855  0.157       ?  
35  35   1  0.412  0.327       ?  
36  36   1  0.929  0.140       ?  
37  37   1  0.693  0.154       ?  
38  38   1  0.941  0.104       ?  
39  39   1  0.921  0.102       ?  
40  40   1  0.477  0.258       ?  
41  41   1  0.779  0.312       ?  
42  42   1  0.873  0.148       ?  
43  43   1  0.342  0.445       ?  
44  44   1  0.559  0.326       ?  
45  45   1  0.323  0.443       ?  
46  46   1  0.610  0.187       ?  
47  47   1  0.573  0.329       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
